SCHEMBL1243705

SCHEMBL1243705

C#CC(=O)C(c1cccc(-c2ccc(F)cc2F)n1)c1cc(C#N)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
CTSA P10619 3/20 0.35
KMO O15229 2/20 0.35
SCN9A Q15858 5/20 0.34
VNN1 O95497 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
FAAH O00519 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
PTGER1 P34995 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12519903 0.87 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3CTSA
SCHEMBL1243537 0.87 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3CTSA
SCHEMBL1244651 0.86 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3CTSA
SCHEMBL12521516 0.75 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3CTSA
SCHEMBL1244271 0.73 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA3CTSA
SCHEMBL12139845 0.69 SCN9A (0.46) CTSAKMOSCN9AFAAH
SCHEMBL12139879 0.68 SCN9A (0.43) CTSAKMOSCN9APTGER1LMNA
SCHEMBL1243728 0.67 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3KMO
SCHEMBL4681292 0.67 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3CTSA
SCHEMBL2609356 0.65 KMO (0.42) GABRG2GABRB3GABRA5GABRA3CTSA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915373-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2013-05-22 EP disclosed
EP-1915373-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2013-05-22 EP disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 US disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 US disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
WO-2007021710-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-02-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131472-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 GABRG2 4520/4885GABRB3 4483/4885GABRA5 4503/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 GABRG2 4544/4885GABRB3 4488/4885GABRA5 4473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.